Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
TNE
TNE
表記:8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE
組成式:C8 H13 N O
SMILES:O=C1CC2N(C)C(C1)CC2
InChi:InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
別名:TROPINONE
定義日:2001-05-16
最終更新日:2020-06-17
識別子（ID）:(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
VAK
VAK
表記:methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
組成式:C22 H20 O8
SMILES:O=C(OC)C4c2c(c(O)c1C(=O)c3c(C(=O)c1c2)cccc3O)C(O)CC4(O)CC
InChi:InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1
別名:Aklavinone
定義日:2009-07-31
最終更新日:2020-06-17
識別子（ID）:methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
KQ7
KQ7
表記:N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
組成式:C30 H37 N7 O3
SMILES:CN1CCC[CH]1CCNc2ccc(cn2)C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C
InChi:InChI=1S/C30H37N7O3/c1-21-5-7-24(34-29(38)22-9-11-32-28(18-22)37-14-16-40-17-15-37)19-26(21)35-30(39)23-6-8-27(33-20-23)31-12-10-25-4-3-13-36(25)2/h5-9,11,18-20,25H,3-4,10,12-17H2,1-2H3,(H,31,33)(H,34,38)(H,35,39)/t25-/m0/s1
別名:N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa mide
定義日:2009-11-18
最終更新日:2020-06-17
識別子（ID）:N-[4-methyl-3-[[6-[2-[(1R,2S)-1-methylpyrrolidin-2-yl]ethylamino]pyridin-3-yl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
TNG
TNG
表記:propane-1,2,3-triyl trinitrate
組成式:C3 H5 N3 O9
SMILES:O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-]
InChi:InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
別名:nitroglycerin
定義日:2012-07-11
最終更新日:2020-06-17
公開日:2012-09-21
識別子（ID）:propane-1,2,3-triyl trinitrate
SFE
SFE
表記:(3S)-3-amino-3-phenylpropanoic acid
組成式:C9 H11 N O2
SMILES:O=C(O)CC(N)c1ccccc1
InChi:InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
別名:S-BETA-PHENYLALANINE
定義日:2011-05-30
最終更新日:2020-06-17
識別子（ID）:(3S)-3-amino-3-phenylpropanoic acid
TNH
TNH
表記:N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide
組成式:C25 H30 N4 O
SMILES:O=C(NCCCCCCNc1c3ccccc3nc2c1CCCC2)c4cccnc4
InChi:InChI=1S/C25H30N4O/c30-25(19-10-9-15-26-18-19)28-17-8-2-1-7-16-27-24-20-11-3-5-13-22(20)29-23-14-6-4-12-21(23)24/h3,5,9-11,13,15,18H,1-2,4,6-8,12,14,16-17H2,(H,27,29)(H,28,30)
別名:2-{2-[(1,2,3,4-tetrahydroacridin- 9-yl)amino]hexyl}N-nicotinamide
定義日:2014-11-28
最終更新日:2020-06-17
公開日:2015-12-23
識別子（ID）:N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide
OSB
OSB
表記:2-SUCCINYLBENZOATE
組成式:C11 H10 O5
SMILES:O=C(O)c1ccccc1C(=O)CCC(=O)O
InChi:InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
別名:O-SUCCINYLBENZOATE
定義日:2000-08-11
最終更新日:2020-06-17
識別子（ID）:2-(3-carboxypropanoyl)benzoic acid
1L2
1L2
表記:(2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
組成式:C45 H80 O10
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCC=C/CC=C/CCCCC
InChi:InChI=1S/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,38-39,42-46,49-51H,3-10,12,14-16,21-37H2,1-2H3/b13-11-,19-17-,20-18-/t38-,39-,42+,43+,44-,45+/m1/s1
別名:1-linoleoyl,2-oleoyl-3-O-(alpha-D-galactopyranosyl)-sn-glycerol
定義日:2009-08-10
最終更新日:2020-06-17
識別子（ID）:(2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
SFG
SFG
表記:SINEFUNGIN
組成式:C15 H23 N7 O5
SMILES:O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
別名:ADENOSYL-ORNITHINE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name)
PM2
PM2
表記:1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE
組成式:C26 H29 N3 O
SMILES:O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3)CN)CC4
InChi:InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2
別名:[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE
定義日:2005-03-09
最終更新日:2020-06-17
識別子（ID）:1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine
P7D
P7D
表記:Resminostat
組成式:C16 H19 N3 O4 S
SMILES:c1cc(ccc1CN(C)C)S(n2ccc(C=CC(=O)NO)c2)(=O)=O
InChi:InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
別名:(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
定義日:2019-08-02
最終更新日:2020-06-17
公開日:2019-12-04
識別子（ID）:(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
KQD
KQD
表記:(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}
組成式:C56 H56 N6 O6
SMILES:C(=O)(c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C(=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%11
InChi:InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1
別名:Diprovocim
定義日:2019-01-03
最終更新日:2020-06-17
公開日:2019-04-17
識別子（ID）:(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide}
PM6
PM6
表記:9H-purine-6-thiol
組成式:C5 H4 N4 S
SMILES:n2c1c(ncn1)c(nc2)S
InChi:InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
別名:6-Mercaptopurine
定義日:2007-12-01
最終更新日:2020-06-17
識別子（ID）:9H-purine-6-thiol
OCR
OCR
表記:(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
組成式:C20 H30 O3
SMILES:O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
InChi:InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
別名:15-oxo-eicosatetraenoic acid
定義日:2008-03-17
最終更新日:2020-06-17
識別子（ID）:(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
QFJ
QFJ
表記:propionylthiocholine
組成式:C8 H18 N O S
SMILES:C[N+](C)(C)CCSC(CC)=O
InChi:InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
別名:N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
定義日:2019-10-22
最終更新日:2020-06-17
公開日:2020-05-13
識別子（ID）:N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
RMB
RMB
表記:N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHYLBENZIMIDAZOLE
組成式:C13 H17 N2 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cc(ccc12)C)C(O)C3O
InChi:InChI=1S/C13H17N2O7P/c1-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(22-13)5-21-23(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1
別名:MONO-[3,4-DIHYDROXY-5-(5-METHYL-BENZOIMIDAZOL-1-YL)-TETRAHYDOR-FURAN-2-YLMETHYL] ESTER
定義日:2001-07-09
最終更新日:2020-06-17
識別子（ID）:5-methyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
TB1
TB1
表記:(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID
組成式:C11 H13 N O5
SMILES:O=C(O)C(N)C(OCc1ccccc1)C(=O)O
InChi:InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
別名:D,L-THREO-BENZYLOXYASPARTATE
定義日:2007-01-15
最終更新日:2020-06-17
識別子（ID）:(3S)-3-(benzyloxy)-L-aspartic acid
TNS
TNS
表記:N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID
組成式:C20 H22 N2 O4
SMILES:[O-][N+](=O)c1ccc(cc1)C=Cc2ccc(N(C)CCCCC(=O)O)cc2
InChi:InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+
別名:5-[{4-[(E)-2-(4-NITROPHENYL)VINYL]PHENYL}(METHYL)AMINO]PENTANOIC ACID
定義日:2006-02-20
最終更新日:2020-06-17
識別子（ID）:5-(methyl{4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl}amino)pentanoic acid
SFR
SFR
表記:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
組成式:C12 H17 N O6 S
SMILES:OC(=O)C(C1NC(C(O)=O)=C(S1)C2OCCC2)C(O)C
InChi:InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,10-/m1/s1
別名:FAROPENEM, unbound, hydrolyzed form
定義日:2007-11-27
最終更新日:2020-06-17
識別子（ID）:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
OCX
OCX
表記:(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
組成式:C20 H30 O3
SMILES:O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O
InChi:InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13?
別名:8-oxo-eicosatetraenoic acid
定義日:2008-03-17
最終更新日:2020-06-17
識別子（ID）:(5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
PMI
PMI
表記:(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID
組成式:C9 H12 N O3 P
SMILES:O=P(O)(O)C2(N)Cc1ccccc1C2
InChi:InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)
別名:2-AMINOINDAN-2-PHOSPHONIC ACID
定義日:2006-12-14
最終更新日:2020-06-17
識別子（ID）:(2-amino-2,3-dihydro-1H-inden-2-yl)phosphonic acid
SFX
SFX
表記:(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
組成式:C17 H18 F3 N O
SMILES:FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2
InChi:InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1
別名:Fluoxetine
定義日:2009-04-03
最終更新日:2020-06-17
識別子（ID）:(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
MQE
MQE
表記:2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione
組成式:C66 H96 O2
SMILES:C(C(=CCC/C(C)=C/CCC(=CCCC(=CCC/C(C)=C/CC1=C(C(c2c(C1=O)cccc2)=O)C)C)C)C)C/C=C(/CCC=C(CC/C=C(/CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C
InChi:InChI=1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-48+
別名:Menaquinone 11
定義日:2018-02-02
最終更新日:2020-06-17
公開日:2018-05-02
識別子（ID）:2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione
P80
P80
表記:3-[(E)-2-nitroethenyl]phenol
組成式:C8 H7 N O3
SMILES:[O-][N+](=O)/C=C/c1cc(O)ccc1
InChi:InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+
別名:(E)-1-(3'-hydroxyphenyl)-2-nitroethene
定義日:2010-10-14
最終更新日:2020-06-17
識別子（ID）:3-[(E)-2-nitroethenyl]phenol
PMO
PMO
表記:N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE
組成式:C13 H17 N2 O8 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3O
InChi:InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1
別名:PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
定義日:2001-07-09
最終更新日:2020-06-17
識別子（ID）:5-methoxy-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole

223166

件を2024-07-31に公開中

PDB statisticsPDBj update infoContact PDBjnumon